N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine

C17H30N2 — CID 139497414

IUPACN-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine
SMILESC=C(CC1CCN(C(=C)/C=C/C)CC1)NC(C)CC
InChIInChI=1S/C17H30N2/c1-6-8-16(5)19-11-9-17(10-12-19)13-15(4)18-14(3)7-2/h6,8,14,17-18H,4-5,7,9-13H2,1-3H3/b8-6+
InChIKeyZPNSPCLDKCYKJB-SOFGYWHQSA-N
MW262.44 g/mol
LogP4.08
Rot. Bonds7

About N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine

N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine (PubChem CID 139497414) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine.

Molecular Properties

Compound NameN-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine
PubChem CID139497414
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine
SMILESC=C(CC1CCN(C(=C)/C=C/C)CC1)NC(C)CC
InChIInChI=1S/C17H30N2/c1-6-8-16(5)19-11-9-17(10-12-19)13-15(4)18-14(3)7-2/h6,8,14,17-18H,4-5,7,9-13H2,1-3H3/b8-6+
InChIKeyZPNSPCLDKCYKJB-SOFGYWHQSA-N
XLogP4.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine?
The IUPAC name of N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine (CID 139497414) is N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine.
What is the SMILES notation for N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine?
The canonical SMILES for N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine is C=C(CC1CCN(C(=C)/C=C/C)CC1)NC(C)CC.
What is the InChIKey of N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine?
The InChIKey is ZPNSPCLDKCYKJB-SOFGYWHQSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-8-16(5)19-11-9-17(10-12-19)13-15(4)18-14(3)7-2/h6,8,14,17-18H,4-5,7,9-13H2,1-3H3/b8-6+.
What are the key properties of N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine?
N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3E)-penta-1,3-dien-2-yl]piperidin-4-yl]prop-1-en-2-yl]butan-2-amine is sourced from PubChem (CID 139497414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).